Mustafa M. Kadhim, Mohanad Hatem Shadhar, Israa Nathir, Taleeb Zedan Taban, Aiyah S. Noori, Haider A. Almashhadani, Ahmed Mahdi Rheima and Abdol Ghaffar Ebadi

International Journal of Hydrogen Energy, 2022, 47, 31665
DOI: 10.1016/j.ijhydene.2022.07.087

Harnessing the unique properties of MXenes for advanced rechargeable batteries

Deobrat Singh, Vivekanand Shukla, Nabil Khossossi, Abdelmajid Ainane and Rajeev Ahuja

J. Phys. Energy, 2021, 3, 012005
DOI: 10.1088/2515-7655/abceac

Ultrahigh Capacity of Monolayer Dumbbell C4N as a Promising Anode Material for Lithium-Ion Battery

Chen Yang, Xiuying Zhang, Jiachen Ma, Bowen Shi, Han Zhang, Linqiang Xu, Jie Yang, Shiqi Liu, Ruge Quhe, Feng Pan, Jing Lu and Dapeng Yu

J. Electrochem. Soc., 2020, 167, 020538
DOI: 10.1149/1945-7111/ab6bbd

Aluminene as a Low-Cost Anode Material for Li- and Na-Ion Batteries

Kiran Yadav and Nirat Ray

ACS Appl. Mater. Interfaces, 2023, 15, 37337
DOI: 10.1021/acsami.3c05169

Ultrafine molybdenum oxycarbide nanodots encapsulated in N,P co-doped carbon nanofibers as an advanced anode material for lithium-ion batteries

Huanhuan Li, Huayang Sun, Kui Wang, Yaping Wang, Nan Wang, Xiaoxin Lv, Haobin Jiang and Long Chen

Nanotechnology, 2021, 32, 295601
DOI: 10.1088/1361-6528/abf26e

Tuning the electrochemical performance of Cr2B2 MBene anodes for Li and Na-ion batteries through F and Cl-functionalization: A DFT and AIMD study

Ahsiur Rahman Nirjhar, Sadika Jannath Tan-Ema, Miah Abdullah Sahriar, Md. Nazmul Ahsan Dipon, Mohd. Rakibul Hasan Abed, Kazi Md. Shorowordi and Saquib Ahmed

Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2024, 684, 133194
DOI: 10.1016/j.colsurfa.2024.133194

Electronic and mechanical properties of stiff rhenium carbide monolayers: A first-principles investigation

Edirisuriya M.D. Siriwardane, Pragalv Karki, Cem Sevik and Deniz Çakır

Applied Surface Science, 2018, 458, 762
DOI: 10.1016/j.apsusc.2018.07.058

Eco-friendly layered carbide synthesis from renewable precursors for energy storage applications

William Coley, Amir-Ali Akhavi, Pedro Pena, Ruoxu Shang, Yi Ma, Andreas August-Hernandez, Mohammed Sayyad, Sefaattin Tongay, Mustafa Kurban, Cengiz S. Ozkan and Mihrimah Ozkan

iScience, 2025, 28, 112692
DOI: 10.1016/j.isci.2025.112692

High-pressure-assisted design of porous topological semimetal carbon for Li-ion battery anode with high-rate performance

Junyi Liu, Shuo Wang, Yu Qie, Cunzhi Zhang and Qiang Sun

Phys. Rev. Materials, 2018, 2
DOI: 10.1103/PhysRevMaterials.2.025403

Computational screening of C6BN monolayer as a promising anode material for Li/Na-ion batteries

Mehwish K. Butt, Fei Ye, Kong Long, Adel El-marghany, Yan Zhao, Javed Rehman and Zhi-Peng Li

Journal of Power Sources, 2025, 644, 237119
DOI: 10.1016/j.jpowsour.2025.237119

In-situ construction of g-C3N4/Mo2CTx hybrid for superior lithium storage with significantly improved Coulombic efficiency and cycling stability

Lijia Wan, Yingqi Tang, Lei Chen, Kai Wang, Jiaqi Zhang, Yang Gao, Jin Yong Lee, Ting Lu, Xingtao Xu, Jiabao Li, Yonghui Zheng and Likun Pan

Chemical Engineering Journal, 2021, 410, 128349
DOI: 10.1016/j.cej.2020.128349

Rational Design of Two-Dimensional Porous Boron Phosphide as Efficient Cathode Material for Li and Na Ion Batteries: A First-Principles Study

Atish Ghosh, Sougata Pal and Pranab Sarkar

J. Phys. Chem. C, 2022, 126, 5092
DOI: 10.1021/acs.jpcc.1c09966

Effects of surface compositions and interlayer distance on electrochemical performance of Mo2CTx MXene as anode of Li-ion batteries

Yitong Guo, Darong Liu, Bowen Huang, Libo Wang, Qixun Xia and Aiguo Zhou

Journal of Physics and Chemistry of Solids, 2023, 176, 111238
DOI: 10.1016/j.jpcs.2023.111238

Physical properties of the recently discovered Zr2(Al1−x Bi x )C MAX phases

M. A. Hadi, R. V. Vovk and A. Chroneos

J Mater Sci: Mater Electron, 2016, 27, 11925
DOI: 10.1007/s10854-016-5338-z

Acepentalene Membrane Sheet: A Metallic Two-Dimensional Carbon Allotrope with High Carrier Mobility for Lithium Ion Battery Anodes

Tiantian Zeng, Hao Yang, Hongbo Wang and Gang Chen

J. Phys. Chem. C, 2020, 124, 5999
DOI: 10.1021/acs.jpcc.0c00376

Theoretical prediction of the potential of using two-dimensional V2S2 as an effective anode for alkali metal ion batteries

Somnath Chowdhury, Jagadish Chandra Mahato, Jin Suk Chung, Sung Gu Kang and Bikash C. Gupta

Surfaces and Interfaces, 2024, 51, 104750
DOI: 10.1016/j.surfin.2024.104750

Emerging nanostructured electrode materials for water electrolysis and rechargeable beyond Li-ion batteries

Ekaterina Pomerantseva, Carlo Resini, Kirill Kovnir and Yury V. Kolen’ko

Advances in Physics: X, 2017, 2, 211
DOI: 10.1080/23746149.2016.1273796

Elastic and thermodynamic properties of new (Zr3−Ti )AlC2 MAX-phase solid solutions

M.A. Hadi, M. Roknuzzaman, A. Chroneos, S.H. Naqib, A.K.M.A. Islam, R.V. Vovk and K. Ostrikov

Computational Materials Science, 2017, 137, 318
DOI: 10.1016/j.commatsci.2017.06.007

2D metal borides (MBenes): Synthesis methods for energy storage applications

Abdul Jabbar Khan, Syed Shaheen Shah, Shaukat Khan, Abdul Mateen, Bushra Iqbal, Mizna Naseem, Liang He, Yi Zhang, Yong Che, Ya Tang, Miao Xu, Ling Gao and Guowei Zhao

Chemical Engineering Journal, 2024, 497, 154429
DOI: 10.1016/j.cej.2024.154429

A theoretical study of high-performance β-In2Se3 monolayer as the anode material for alkali-metal (Li/Na/K)-ion batteries

Daomei Wu, Bing Fu, Shan Wang, Yunye Liang, Yiqun Xie, Xiang Ye and Shoutian Sun

J Mater Sci, 2023, 58, 7660
DOI: 10.1007/s10853-023-08525-0

Two-Dimensional T-NiSe2 as a Promising Anode Material for Potassium-Ion Batteries with Low Average Voltage, High Ionic Conductivity, and Superior Carrier Mobility

Yupeng Shen, Jie Liu, Xiaoyin Li and Qian Wang

ACS Appl. Mater. Interfaces, 2019, 11, 35661
DOI: 10.1021/acsami.9b09223

Fast Intercalation of Lithium in Semi‐Metallic γ‐GeSe Nanosheet: A New Group‐IV Monochalcogenide for Lithium‐Ion Battery Application

Zheng Shu, Xiangyue Cui, Bowen Wang, Hejin Yan and Yongqing Cai

ChemSusChem, 2022, 15
DOI: 10.1002/cssc.202200564

BC2N nanotube as a promising anode for rechargeable calcium ion batteries

Nasma A. Jaber, Zainab Talib Abed, Mustafa M. Kadhim, Yasser Yaseen, Waleed Mohammed Khazaal, Haider A. Almashhadani, Ahmed Mahdi Rheima and Ali Mohamadi

Materials Chemistry and Physics, 2023, 294, 126926
DOI: 10.1016/j.matchemphys.2022.126926

MXenes: A comprehensive review of synthesis, properties, and progress in supercapacitor applications

Raheela Akhter and Shrikant S. Maktedar

Journal of Materiomics, 2023, 9, 1196
DOI: 10.1016/j.jmat.2023.08.011

Boron-graphdiyne as an anode material for Li, Na, and K ion batteries with high capacities and low diffusion barriers

Imran Muhammad, Shuo Wang, Junyi Liu, Huanhuan Xie and Qiang Sun

Journal of Renewable and Sustainable Energy, 2019, 11
DOI: 10.1063/1.5079928

A theoretical investigation on the two-dimensional Fe/Mn tricarbides (XC3) as promising electrode materials for lithium-ion batteries

Yanqiu Zheng, Yu Liang, Zhe Wang, Yun Wang, Xiang Li, Jiale Yu, Cheng Zhan and Fang Wu

Journal of Physics and Chemistry of Solids, 2023, 182, 111572
DOI: 10.1016/j.jpcs.2023.111572

Computational Investigation of Two-Dimensional Vanadium Boride Compounds for Na-Ion Batteries

Feng Wei, Shuai Xu, Jingjing Li, Shuyu Yuan, Baonan Jia, Shuli Gao, Gang Liu and Pengfei Lu

ACS Omega, 2022, 7, 14765
DOI: 10.1021/acsomega.2c00134

Performances of O- and S-functionalized Mo2C monolayer in lithium ion batteries: Theoretical and experimental research

Yiwen Fu, Haiyan Wang, Dan Li, Jiahui Shen, Yu Liu, Mengjie Wei and Qianku Hu

Journal of Alloys and Compounds, 2023, 965, 171306
DOI: 10.1016/j.jallcom.2023.171306

Understanding Na-ion adsorption in nitrogen doped graphene oxide anode for rechargeable sodium ion batteries

Siraj Ud Daula Shamim, Md Kamal Hossain, Syed Mahedi Hasan, Afiya Akter Piya, Mohammad Sadiqur Rahman, Md. Abul Hossain and Farid Ahmed

Applied Surface Science, 2022, 579, 152147
DOI: 10.1016/j.apsusc.2021.152147

Pyrazinoquinoxaline graphdiyne: A novel high-capacity anode material for metal-ion batteries

Leila Keshtkari and Timon Rabczuk

Physica E: Low-dimensional Systems and Nanostructures, 2024, 161, 115955
DOI: 10.1016/j.physe.2024.115955

Holey graphite: A promising anode material with ultrahigh storage for lithium-ion battery

Chen Yang, Xiuying Zhang, Jingzhen Li, Jiachen Ma, Linqiang Xu, Jie Yang, Shiqi Liu, Shibo Fang, Ying Li, Xiaotian Sun, Xiaoyu Yang, Feng Pan, Jing Lu and Dapeng Yu

Electrochimica Acta, 2020, 346, 136244
DOI: 10.1016/j.electacta.2020.136244

Three-Dimensional Silicene-Based Materials: A Universal Anode for Monovalent and Divalent Ion Batteries

Imran Muhammad, Shehzad Ahmed, Hao Cao, Asif Mahmood and Yang-Gang Wang

J. Phys. Chem. C, 2023, 127, 1198
DOI: 10.1021/acs.jpcc.2c06877

Density functional theory study of molecular pillared graphene for High-Performance Sodium-Ion batteries

F. Peymanirad, R. Majidi, S. Izadi Vishkayi and H. Rahimpour Soleimani

Applied Surface Science, 2024, 669, 160502
DOI: 10.1016/j.apsusc.2024.160502

Alkali Metal Intercalation in MXene/Graphene Heterostructures: A New Platform for Ion Battery Applications

Ilker Demiroglu, François M. Peeters, Oğuz Gülseren, Deniz Çakır and Cem Sevik

J. Phys. Chem. Lett., 2019, 10, 727
DOI: 10.1021/acs.jpclett.8b03056

Single- and multi-layer arsenene as an anode material for Li, Na, and K-ion battery applications

Muammer Kanli, Mustafa Kurban, Burak Ozdemir, Abdullatif Onen and Engin Durgun

Computational Materials Science, 2021, 186, 110000
DOI: 10.1016/j.commatsci.2020.110000

A Density Functional Theory Study on Rechargeable Mg‐ion Batteries: C20 Fullerene as a Promising Anode Material

Ahmet Kose, Numan Yuksel and Mehmet Ferdi Fellah

ChemistrySelect, 2022, 7
DOI: 10.1002/slct.202202921

β12-Borophene/Graphene Heterostructure as a High-Performance Anode Material for Li-Ion Batteries

Sorour Faramarzi and Tayebeh Movlarooy

ACS Appl. Mater. Interfaces, 2024, 16, 25966
DOI: 10.1021/acsami.3c17997

Synthesis of two-dimensional carbide Mo2CTx MXene by hydrothermal etching with fluorides and its thermal stability

Yitong Guo, Sen Jin, Libo Wang, Pingge He, Qianku Hu, Li-Zhen Fan and Aiguo Zhou

Ceramics International, 2020, 46, 19550
DOI: 10.1016/j.ceramint.2020.05.008

Engineering MoTe2 and Janus SeMoTe nanosheet structures: First-principles roadmap and practical uses in hydrogen evolution reactions and symmetric supercapacitors

Dhanasekaran Vikraman, Sajjad Hussain, Iqra Rabani, Asad Feroze, Muhammad Ali, Young-Soo Seo, Seung-Hyun Chun, Jongwan Jung and Hyun-Seok Kim

Nano Energy, 2021, 87, 106161
DOI: 10.1016/j.nanoen.2021.106161

Molten salt-assisted controlled synthesis of two-dimensional molybdenum carbide

Qingze Na, Guojun Zhang, Jiahao Wang, Yagang Zhang, Rui Li, Juan Wang, Caixia Wang and Jiachen Zhang

Materials Characterization, 2024, 217, 114412
DOI: 10.1016/j.matchar.2024.114412

S-Functionalized Mo2C Monolayer as a Novel Electrode Material in Li-Ion Batteries

Veenu Mehta, Hardev S. Saini, Sunita Srivastava, Manish K. Kashyap and K. Tankeshwar

J. Phys. Chem. C, 2019, 123, 25052
DOI: 10.1021/acs.jpcc.9b05679

Metallic two-dimentional penta-PC2 structure with excellent electrical conductivity as superior anode material for both Li and Na ion batteries

Wei Liu, Xiaotao Zu, Yungang Zhou and Hongxiang Deng

Applied Surface Science, 2022, 581, 152368
DOI: 10.1016/j.apsusc.2021.152368

Structural and optical properties of the recently synthesized (Zr3−x Ti x )AlC2 MAX phases

M. A. Hadi, Y. Panayiotatos and A. Chroneos

J Mater Sci: Mater Electron, 2017, 28, 3386
DOI: 10.1007/s10854-016-5933-z

Unlocking the potential of Mg-ion batteries: Cu2C MXene anode with ultrahigh storage and energy density with rapid Mg diffusion

Gaushiya A. Shaikh, Akshay M. Satawara, Sanjeev K. Gupta and P.N. Gajjar

Chemical Engineering Journal, 2024, 498, 155368
DOI: 10.1016/j.cej.2024.155368

Vacancy-mediated lithium adsorption and diffusion on MXene

Hao Wu, Zhonglu Guo, Jian Zhou and Zhimei Sun

Applied Surface Science, 2019, 488, 578
DOI: 10.1016/j.apsusc.2019.05.311

Facile synthesis of uniform MoO2/Mo2CTx heteromicrospheres as high-performance anode materials for lithium-ion batteries

Jie Min, Kangyan Wang, Jun Liu, Yang Yao, Wenjun Wang, Linyu Yang, Ruizhi Zhang and Ming Lei

Journal of Power Sources, 2017, 363, 392
DOI: 10.1016/j.jpowsour.2017.07.079

Highly stable TiOF monolayer as anode material for the applications of Li/Na-ion batteries

Ya Wu, Shuailong Wang, Yiqun Xie, Xiang Ye and Shoutian Sun

Applied Surface Science, 2022, 574, 151296
DOI: 10.1016/j.apsusc.2021.151296

Assessment of Sulfur-Functionalized MXenes for Li-Ion Battery Applications

Edirisuriya M. D. Siriwardane, Ilker Demiroglu, Cem Sevik, François M. Peeters and Deniz Çakır

J. Phys. Chem. C, 2020, 124, 21293
DOI: 10.1021/acs.jpcc.0c05287

Preparation of Three-Dimensional Mo2C/NC@MXene and Its Efficient Electromagnetic Absorption Properties

Ke Yang, Yuhong Cui, Lingyun Wan, Yabin Wang, Muhammad Rizwan Tariq, Pei Liu, Qiuyu Zhang and Baoliang Zhang

ACS Appl. Mater. Interfaces, 2022, 14, 7109
DOI: 10.1021/acsami.1c19033

Coupling Mo2C@C core-shell nanocrystals on 3D graphene hybrid aerogel for high-performance lithium ion battery

Hailin Xin, Yang Hai, Dongzhi Li, Zhaozheng Qiu, Yemao Lin, Bo Yang, Haosen Fan and Caizhen Zhu

Applied Surface Science, 2018, 441, 69
DOI: 10.1016/j.apsusc.2018.01.187

Density Functional Investigations on 2D‐Be2C as an Anode for Alkali Metal‐Ion Batteries

Hetvi Jadav, Sadhana Matth and Himanshu Pandey

Energy Storage, 2024, 6
DOI: 10.1002/est2.70048

Theoretical exploration of AlB2 monolayer with high energy storage properties in the field of ion battery materials

Shihao Ma, Hui Zhang, Nan Gao, Xinjian Xie, Yulong Fang and Guifeng Chen

Computational Materials Science, 2024, 245, 113291
DOI: 10.1016/j.commatsci.2024.113291

Unveiling the electrochemical properties of Au2B/Au2BO2 MBenes for Li- and Na-ion batteries through DFT simulations

Gaushiya A. Shaikh, Akshay M. Satawara, Sanjeev K. Gupta and P.N. Gajjar

Journal of Energy Storage, 2025, 127, 117146
DOI: 10.1016/j.est.2025.117146

Phase engineering of sub-3nm metastable molybdenum carbide enables fast lithium storage kinetics via multiple spatial confinement

Xing Zhang, Mengyao Guo, Bei Lv, Yue Zhu, Jiaxi Yang, Ruiyu Zhu, Qing Li, Chao Li, Yu Zhang and Yuhao Peng

Applied Surface Science, 2025, 710, 163992
DOI: 10.1016/j.apsusc.2025.163992

Determination of Dynamically Stable Electrenes toward Ultrafast Charging Battery Applications

Tuğbey Kocabaş, Ayberk Özden, İlker Demiroğlu, Deniz Çakır and Cem Sevik

J. Phys. Chem. Lett., 2018, 9, 4267
DOI: 10.1021/acs.jpclett.8b01468

RETRACTED: Evaluating the potential of graphene-like boron nitride as a promising cathode for Mg-ion batteries

R. Sivaraman, Indrajit Patra, Maria Jade Catalan Opulencia, Rafid Sagban, Himanshu Sharma, Abduladheem Turki Jalil and Abdol Ghaffar Ebadi

Journal of Electroanalytical Chemistry, 2022, 917, 116413
DOI: 10.1016/j.jelechem.2022.116413

Unveiling MBenes: A New Class of 2D Materials Shaping the Future of Energy

Narasimharao Kitchamsetti, Ana L. F. de Barros, HyukSu Han and Sungwook Mhin

Advanced Sustainable Systems, 2025
DOI: 10.1002/adsu.202500581

In Situ Growth of Nanorod-Shaped Ni,Co-MOF on Mo2CTx MXene Surface to Realize Enhanced Energy Storage for Supercapacitors

Jie Liu, Qixun Xia, Libo Wang, Qianku Hu, Nanasaheb M. Shinde and Aiguo Zhou

ACS Appl. Mater. Interfaces, 2024, 16, 49380
DOI: 10.1021/acsami.4c09616

Three-Dimensional Porous Tetrakis Methane and Silane as a High-Capacity Anode Material for Monovalent and Divalent Metal Ion Batteries

Awais Ghani, Shehzad Ahmed, Adil Murtaza, Imran Muhammad, Wen Liang Zuo and Sen Yang

J. Phys. Chem. C, 2023, 127, 16802
DOI: 10.1021/acs.jpcc.3c03036

Insight and control of the chemical vapor deposition growth parameters and morphological characteristics of graphene/Mo 2 C heterostructures over liquid catalyst

Stefanos Chaitoglou, Polychronis Tsipas, Thanassis Speliotis, George Kordas, Antonios Vavouliotis and Athanasios Dimoulas

Journal of Crystal Growth, 2018, 495, 46
DOI: 10.1016/j.jcrysgro.2018.05.015

A DFT study for evaluation of the electrochemical performance of hydrogen boride monolayer as anode for Mg-ion battery

Uday Abdul-Reda Hussein, Ammar Kh. Hammad, Shaxnoza Saydaxmetova, Baraa Mohammed Yaseen, Rafid Jihad Albadr, Waam Mohammed Taher, Mariem Alwan, Mohammed Akbar, Javed Khan Bhutto and Saiful Islam

Journal of Energy Storage, 2025, 133, 118084
DOI: 10.1016/j.est.2025.118084

Designing flexible 2D transition metal carbides with strain-controllable lithium storage

Hang Zhang, Zhongheng Fu, Ruifeng Zhang, Qianfan Zhang, Hongzhen Tian, Dominik Legut, Timothy C. Germann, Yuanqi Guo, Shiyu Du and Joseph S. Francisco

Proc. Natl. Acad. Sci. U.S.A., 2017, 114
DOI: 10.1073/pnas.1717219115

Quantum dot heterostructure with directional charge transfer channels for high sodium storage

Song Yang, Chen Liu, Hongguan Li, Shulan Wang, Jihoon Choi and Li Li

Energy Storage Materials, 2021, 39, 278
DOI: 10.1016/j.ensm.2021.04.039

Novel 2D transition metal carbo-chalcogenides as anode materials: A comparative study of Sc2S2C and Sc2Se2C monolayers

Shahab Rahimi Herabad, H. Rahimpour Soleimani and Mohammad Ali Mohebpour

Journal of Physics and Chemistry of Solids, 2025, 205, 112779
DOI: 10.1016/j.jpcs.2025.112779

Engineering the novel MoSe2-Mo2C hybrid nanoarray electrodes for energy storage and water splitting applications

Dhanasekaran Vikraman, Sajjad Hussain, K. Karuppasamy, Asad Feroze, A. Kathalingam, Anandhavelu Sanmugam, Seung-Hyun Chun, Jongwan Jung and Hyun-Seok Kim

Applied Catalysis B: Environmental, 2020, 264, 118531
DOI: 10.1016/j.apcatb.2019.118531

A systematical ab-initio review of promising 2D MXene monolayers towards Li-ion battery applications

Uğur Yorulmaz, İlker Demiroğlu, Deniz Çakir, Oğuz Gülseren and Cem Sevik

J. Phys. Energy, 2020, 2, 032006
DOI: 10.1088/2515-7655/ab9fe3

Two-Dimensional Covalent Triazine Framework as a Promising Anode Material for Li-Ion Batteries

Biswajit Ball, Chandrima Chakravarty and Pranab Sarkar

J. Phys. Chem. C, 2019, 123, 30155
DOI: 10.1021/acs.jpcc.9b09268

Electronic, Optical and Thermoelectric Properties of Two-Dimensional Molybdenum Carbon Mo2C-MXenes

Doan Thi Kieu Anh, Pham Hong Minh, Kohei Yamanoi, Marilou Cadatal-Raduban, Luong Viet Mui, Do Minh Hieu and Nguyen Dai Hung

Applied Sciences, 2024, 14, 9257
DOI: 10.3390/app14209257

Effect of electrolyte on supercapacitor performance of two-dimensional molybdenum carbide (Mo2CTx) MXene prepared by hydrothermal etching

Hongtian He, Junkai Wang, Qixun Xia, Libo Wang, Qianku Hu and Aiguo Zhou

Applied Surface Science, 2021, 568, 150971
DOI: 10.1016/j.apsusc.2021.150971

Investigation of Ordered TiMC and TiMCT2 (M = Cr and Mo; T = O and S) MXenes as High-Performance Anode Materials for Lithium-Ion Batteries

Shi-Ping Huang, Jia-Fang Gu, Yu-Rong Ren, Kai-Ning Ding, Yi Li, Yong-Fan Zhang, Shu-Ping Huang, Wei Lin and Wen-Kai Chen

J. Phys. Chem. C, 2022, 126, 5283
DOI: 10.1021/acs.jpcc.1c10638

Recent Advances in Developing Hybrid Materials for Sodium-Ion Battery Anodes

Jang Mee Lee, Gurwinder Singh, Wangsoo Cha, Sungho Kim, Jiabao Yi, Seong-Ju Hwang and Ajayan Vinu

ACS Energy Lett., 2020, 5, 1939
DOI: 10.1021/acsenergylett.0c00973

Anisotropic mechanical and optical response and negative Poisson’s ratio in Mo2C nanomembranes revealed by first-principles simulations

Bohayra Mortazavi, Masoud Shahrokhi, Meysam Makaremi and Timon Rabczuk

Nanotechnology, 2017, 28, 115705
DOI: 10.1088/1361-6528/aa5c29

Two-dimensional silicether as an excellent anode material for magnesium-ion battery with high capacity and fast diffusion ability

Rui Zhao, Xiao-Juan Ye and Chun-Sheng Liu

Eur. Phys. J. B, 2023, 96
DOI: 10.1140/epjb/s10051-023-00557-4

T-BN nanosheets as High-capacity anode for Li- and Na-Ion Batteries: An ab initio study

Farzana Nazneen, Prianka Mondal, Naafis Ahnaf Shahed, Shamima Khanom, Md. Kamal Hossain and Farid Ahmed

Computational and Theoretical Chemistry, 2023, 1224, 114105
DOI: 10.1016/j.comptc.2023.114105

Hierarchical Mo2C@CNT Hybrid Structure Formation for the Improved Lithium-Ion Battery Storage Performance

Sajjad Hussain, Shoaib Muhammad, Muhammad Faizan, Kyung-Wan Nam, Hyun-Seok Kim, Dhanasekaran Vikraman and Jongwan Jung

Nanomaterials, 2021, 11, 2195
DOI: 10.3390/nano11092195

Laser-Triggered High Graphitization of Mo2C@C: High Rate Performance and Excellent Cycling Stability as Anode of Lithium Ion Batteries

Hanbin Hu, Haoyi Li, Zhenghe Zhang, Wei Chen, Jikang Wang, Lifei Lian, Weimin Yang, Lei He and Yu-Fei Song

ACS Appl. Mater. Interfaces, 2023, 15, 45725
DOI: 10.1021/acsami.3c03663

Theoretical investigation of Mo2C and Mo2CO2 as anodes for sodium/magnesium-ion batteries

Xusheng Li, Yiwen Fu, Haiyan Wang, Weiwei Yu, Dan Li, Yu Liu, Mengjie Wei, Qianku Hu and Aiguo Zhou

Journal of Energy Storage, 2024, 87, 111500
DOI: 10.1016/j.est.2024.111500

First-principles investigations to evaluate Mo2B monolayers as promising two-dimensional anode materials for Mg-ion batteries

Tiantian Mei, Jianbao Wu, Shuhan Lu, Bingqian Wang, Xinxin Zhao, LiLi Wang and ZhiXiang Yin

J. Phys. Energy, 2022, 4, 035002
DOI: 10.1088/2515-7655/ac71cb

Two-dimensional B$$_2$$C as a potential anode material for Mg-ion batteries with extremely high theoretical capacity

Grzegorz T. Kasprzak and Artur P. Durajski

Sci Rep, 2022, 12
DOI: 10.1038/s41598-022-15702-9

Influence of C-vacancy-line defect on electronic and optical properties and quantum capacitance of Ti2CO2 MXene: A first-principles study

Xiao-Hong Li, Ming-Zhu Liu, Xiao-Ming Tan, Xiao Su, Rong-Guang Guo, Rui-Zhou Zhang and Hong-Ling Cui

Journal of Physics and Chemistry of Solids, 2023, 176, 111254
DOI: 10.1016/j.jpcs.2023.111254

MoS2@X2C (X = Mo or W) hybrids for enhanced supercapacitor and hydrogen evolution performances

Sajjad Hussain, Iqra Rabani, Dhanasekaran Vikraman, Asad Feroze, Muhammad Ali, Young-Soo Seo, Wooseok Song, Ki-Seok An, Hyun-Seok Kim, Seung-Hyun Chun and Jongwan Jung

Chemical Engineering Journal, 2021, 421, 127843
DOI: 10.1016/j.cej.2020.127843

Intercalation of argon in honeycomb structures towards promising strategy for rechargeable Li-ion batteries

Enes Ibrahim Duden, Umut Savacı, Servet Turan, Cem Sevik and Ilker Demiroglu

J. Phys.: Condens. Matter, 2023, 35, 085301
DOI: 10.1088/1361-648X/aca8e7

Monolayer boron‐arsenide as a perfect anode for alkali‐based batteries with large storage capacities and fast mobilities

Saif Ullah, Pablo A. Denis and Fernando Sato

Int J of Quantum Chemistry, 2019, 119
DOI: 10.1002/qua.25975

Design of tetracene-based metallic 2D carbon materials for Na- and K-Ion batteries

Umer Younis, Imran Muhammad, Yoshiyuki Kawazoe and Qiang Sun

Applied Surface Science, 2020, 521, 146456
DOI: 10.1016/j.apsusc.2020.146456

Application of two-dimensional materials as anodes for rechargeable metal-ion batteries: A comprehensive perspective from density functional theory simulations

Yaser Bahari, Bohayra Mortazavi, Ali Rajabpour, Xiaoying Zhuang and Timon Rabczuk

Energy Storage Materials, 2021, 35, 203
DOI: 10.1016/j.ensm.2020.11.004

Physical properties of Mo2C monolayer by substitutional doping with Co/Cu atoms

E. Bolen, E. Deligoz and H. Ozisik

J. Mater. Res., 2025, 40, 538
DOI: 10.1557/s43578-025-01515-9

Achieving Fast Kinetics and Enhanced Li Storage Capacity for Ti3C2O2 by Intercalation of Quinone Molecules

Edirisuriya M. D. Siriwardane, Ilker Demiroglu, Cem Sevik and Deniz Çakır

ACS Appl. Energy Mater., 2019, 2, 1251
DOI: 10.1021/acsaem.8b01801

Exploring the potential of borophene-based materials for improving energy storage in supercapacitors

B.B. Sahoo, V.S. Pandey, A.S. Dogonchi, D.N. Thatoi, N. Nayak and M.K. Nayak

Inorganic Chemistry Communications, 2023, 154, 110919
DOI: 10.1016/j.inoche.2023.110919

Strain engineering of Mo2C MXene to steer the selectivity in the nitrogen reduction reaction toward ammonia

Diwakar Singh, Karina Bulatova and Kai S. Exner

Chemical Engineering Journal, 2025, 518, 164451
DOI: 10.1016/j.cej.2025.164451

2D SnC sheet with a small strain is a promising Li host material for Li-ion batteries

Javed Rehman, Xiaofeng Fan and W.T. Zheng

Materials Today Communications, 2021, 26, 101768
DOI: 10.1016/j.mtcomm.2020.101768

First-Principles Calculations of Ti2N and Ti2NT2 (T = O, F, OH) Monolayers as Potential Anode Materials for Lithium-Ion Batteries and Beyond

Dashuai Wang, Yu Gao, Yanhui Liu, Di Jin, Yury Gogotsi, Xing Meng, Fei Du, Gang Chen and Yingjin Wei

J. Phys. Chem. C, 2017, 121, 13025
DOI: 10.1021/acs.jpcc.7b03057

Computational predictions of two‐dimensional anode materials of metal‐ion batteries

Jianyan Lin, Tong Yu, Fanjunjie Han and Guochun Yang

WIREs Comput Mol Sci, 2020, 10
DOI: 10.1002/wcms.1473

Novel Graphene Allotropes Designed by Polymerizing Pyracyclene Molecules

Wenyu Huang, Liying Hou, Yang Song and Gang Chen

J. Phys. Chem. C, 2023, 127, 19814
DOI: 10.1021/acs.jpcc.3c05118

A record-high ion storage capacity of T-graphene as two-dimensional anode material for Li-ion and Na-ion batteries

Xiaoming Zhang, Lei Jin, Xuefang Dai, Guifeng Chen and Guodong Liu

Applied Surface Science, 2020, 527, 146849
DOI: 10.1016/j.apsusc.2020.146849

CNT‐Assembled Octahedron Carbon‐Encapsulated Cu3P/Cu Heterostructure by In Situ MOF‐Derived Engineering for Superior Lithium Storage: Investigations by Experimental Implementation and First‐Principles Calculation

Jia Lin, Chenghui Zeng, Xiaoming Lin, Chao Xu and Cheng‐Yong Su

Advanced Science, 2020, 7
DOI: 10.1002/advs.202000736

Mn2C sheet as an electrode material for lithium-ion battery: A first-principles prediction

Yungang Zhou and Xiaotao Zu

Electrochimica Acta, 2017, 235, 167
DOI: 10.1016/j.electacta.2017.03.111

Enhanced electrochemical performance of 2D hydrogen boride under strain: A DFT study for lithium-ion batteries

A. El Aiboudi, A. Sibari, Z. Mansouri, O. Mounkachi, N. Masaif and H. Ez-Zahraouy

Physica B: Condensed Matter, 2025, 704, 417041
DOI: 10.1016/j.physb.2025.417041

Mediation of Interfacial Mo2C Bridging Effect in MoS2@Carbon Colloid Dots Featuring Improved Photovoltaic Performances of Si‐Based Hybrid Solar Cells

Ta‐Cheng Wei, Shih‐Hsiu Chen, Kuan‐Han Lin, Tsung‐Yen Wu, Po‐Hsuan Hsiao and Chia‐Yun Chen

Adv Materials Technologies, 2024, 9
DOI: 10.1002/admt.202301966

Ab initio prediction and characterization of phosphorene-like SiS and SiSe as anode materials for sodium-ion batteries

Haoran Jiang, Tianshou Zhao, Yuxun Ren, Ruihan Zhang and Maochun Wu

Science Bulletin, 2017, 62, 572
DOI: 10.1016/j.scib.2017.03.026

Transition metal carbo-chalcogenide Nb2Se2C monolayers as anode material in metal-ion batteries

Shahab Rahimi Herabad, Mohammad Ali Mohebpour and H. Rahimpour Soleimani

Materials Today Communications, 2024, 38, 108254
DOI: 10.1016/j.mtcomm.2024.108254

First-principles study of bismuthene as a high energy density and excellent rate performance anode material for potassium-ion batteries

Wenfeng Pan, Suiting Ning, Lili Chen and Zhiquan Chen

Phys. Scr., 2024, 99, 015930
DOI: 10.1088/1402-4896/ad14d7

Fused pentagon carbon network: A new anode material for Li ion batteries

Tiantian Zeng, Qianxing Chen, Jinghua Guo and Hongbo Wang

Chemical Physics Letters, 2020, 745, 137225
DOI: 10.1016/j.cplett.2020.137225

Flat borophene films as anode materials for Mg, Na or Li-ion batteries with ultra high capacities: A first-principles study

Bohayra Mortazavi, Obaidur Rahaman, Said Ahzi and Timon Rabczuk

Applied Materials Today, 2017, 8, 60
DOI: 10.1016/j.apmt.2017.04.010

Topochemical synthesis of two-dimensional molybdenum carbide (Mo2C) via Na2CO3-Assited carbothermal reduction of 2H–MoS2

He-Qiang Chang, Guo-Hua Zhang and Kuo-Chih Chou

Materials Chemistry and Physics, 2020, 244, 122713
DOI: 10.1016/j.matchemphys.2020.122713

A Rising 2D Star: Novel MBenes with Excellent Performance in Energy Conversion and Storage

Tianjie Xu, Yuhua Wang, Zuzhao Xiong, Yitong Wang, Yujin Zhou and Xifei Li

Nano-Micro Lett., 2023, 15
DOI: 10.1007/s40820-022-00976-5

Graphene-like Carbon–Nitride Monolayer: A Potential Anode Material for Na- and K-Ion Batteries

Preeti Bhauriyal, Arup Mahata and Biswarup Pathak

J. Phys. Chem. C, 2018, 122, 2481
DOI: 10.1021/acs.jpcc.7b09433

Metallic B2C monolayer as a promising anode material for Li/Na ion storage

Xiaohua Yu, Xuhui Chen, Xiao Wang, Zhentao Yuan, Jing Feng and Ju Rong

Chemical Engineering Journal, 2021, 406, 126812
DOI: 10.1016/j.cej.2020.126812

Flexible and freestanding Mo2CT film electrode with high capacitive properties in aqueous electrolytes

Ziying Ji, Lu Liu, Quanguo Jiang, Wei Zheng, Meng Wu, Yuexia Li, Zhengming Sun and Guobing Ying

Electrochimica Acta, 2024, 502, 144841
DOI: 10.1016/j.electacta.2024.144841

Sc2C as a Promising Anode Material with High Mobility and Capacity: A First‐Principles Study

Xingshuai Lv, Wei Wei, Qilong Sun, Lin Yu, Baibiao Huang and Ying Dai

ChemPhysChem, 2017, 18, 1627
DOI: 10.1002/cphc.201700181

2D-VN2 MXene as a novel anode material for Li, Na and K ion batteries: Insights from the first-principles calculations

Yingfeng Dong, Zhexiang Tang, Pei Liang, Houzhao Wan, Hao Wang, Le Wang, Haibo Shu and Dongliang Chao

Journal of Colloid and Interface Science, 2021, 593, 51
DOI: 10.1016/j.jcis.2021.03.018

Three-dimensional porous phosphorus-graphdiyne as a universal anode material for both K- and Ca-ion batteries with high performance

Imran Muhammad, Umer Younis, Wei Wu, Huanhuan Xie, Abdul Khaliq and Qiang Sun

Journal of Power Sources, 2020, 480, 228876
DOI: 10.1016/j.jpowsour.2020.228876

Optical and first principle investigations of novel 4-sulfocalix[4]arene-para-aminobenzoic acid complex for drug sensing application

Yeong Yi Wong, Faridah Lisa Supian, Afiq Radzwan, Nur Farah Nadia Abd Karim, Farish Armani Hamidon and Nur Irwany Ahmad

J Incl Phenom Macrocycl Chem, 2025
DOI: 10.1007/s10847-025-01303-2

THE RISE OF BOROPHENE AND BOROPHENE NANORIBBONS: A POTENTIAL QUANTUM ELECTRONICS MATERIAL

SAURABH KHARWAR and SANGEETA SINGH

Surf. Rev. Lett., 2022, 29
DOI: 10.1142/S0218625X22300052

Intrinsic Structural, Electrical, Thermal, and Mechanical Properties of the Promising Conductor Mo2C MXene

Xian-Hu Zha, Jingshuo Yin, Yuhong Zhou, Qing Huang, Kan Luo, Jiajian Lang, Joseph S. Francisco, Jian He and Shiyu Du

J. Phys. Chem. C, 2016, 120, 15082
DOI: 10.1021/acs.jpcc.6b04192

Triazine- and Keto-Functionalized Porous Covalent Organic Framework as a Promising Anode Material for Na-Ion Batteries: A First-Principles Study

Biswajit Ball and Pranab Sarkar

J. Phys. Chem. C, 2020, 124, 15870
DOI: 10.1021/acs.jpcc.0c02770

Exploring the role of Stone-Wales defect in boron nitride nano-sheet as a anode Mg-ion batteries

Hind Adnan Al-Sanjari, Suraa Reaad, Zainab Sabri Abbas, Rusal Rayid, Sallal A.H. Abdullaha, Safa K. Hachim, Mustafa M. Kadhim, Ahmed Mahdi Rheima and Anfal Ismael Ibrahim

Inorganic Chemistry Communications, 2022, 146, 110098
DOI: 10.1016/j.inoche.2022.110098

Self-Organized Growth of the Mo2C/Graphene Core-Shell Nanostructured Anode Material for Lithium-Ion Batteries via a Catalytic CVD Process

Navanya Raveendran, Sruthy Subash, Krishna Moorthy Ponnusamy, Preethu P Satheesh, Keun Heo, K. Kamala Bharathi and S. Chandramohan

ACS Appl. Nano Mater., 2024, 7, 11827
DOI: 10.1021/acsanm.4c01386

TiNX (X = F, Cl) monolayer as potential anode materials for Li/Na-ion batteries applications

Mengke Wang, Ya Wu, Shoutian Sun and Xiang Ye

Journal of Energy Storage, 2024, 78, 110105
DOI: 10.1016/j.est.2023.110105

Controlled CVD growth of ultrathin Mo2C (MXene) flakes

Merve Öper, Uǧur Yorulmaz, Cem Sevik, Feridun Ay and Nihan Kosku Perkgöz

Journal of Applied Physics, 2022, 131
DOI: 10.1063/5.0067970

Mn2C monolayer: A superior anode material offering good conductivity, high storage capacity and ultrafast ion diffusion for Li-ion and Na-ion batteries

Xiaoming Zhang, Weizhen Meng, Tingli He, Lei Jin, Xuefang Dai and Guodong Liu

Applied Surface Science, 2020, 503, 144091
DOI: 10.1016/j.apsusc.2019.144091

Two-Dimensional GaN: An Excellent Electrode Material Providing Fast Ion Diffusion and High Storage Capacity for Li-Ion and Na-Ion Batteries

Xiaoming Zhang, Lei Jin, Xuefang Dai, Guifeng Chen and Guodong Liu

ACS Appl. Mater. Interfaces, 2018, 10, 38978
DOI: 10.1021/acsami.8b15139

High-entropy MXene Ti3(B0.25C0.25N0.25O0.25)2O2 as anode materials for lithium-ion batteries: Insight from first principles

Kechen Li, Pengju Hao, Qian Zhang, Yongzhi Wang, Jianbo Zhang, Sydorov Dmytro and Yang Zhou

Materials Today Communications, 2024, 38, 108255
DOI: 10.1016/j.mtcomm.2024.108255

A first-principles research of two-dimensional Sc2N monolayer as an anode material for Na, K, Mg, and Ca ion batteries

Cheng-Wei Lv, Ming-Liang Qin, Yu-Pu He, Meng-Qian Wu, Qin-Sheng Zhu and Shao-Yi Wu

Solid State Ionics, 2025, 423, 116820
DOI: 10.1016/j.ssi.2025.116820

Metallic MoN layer and its application as anode for lithium-ion batteries

Qiaoxuan Zhang, Jiachen Ma, Ming Lei and Ruge Quhe

Nanotechnology, 2018, 29, 165402
DOI: 10.1088/1361-6528/aaad48

Assessment of Mo2N Monolayer as Li-ion battery anodes with high cycling stability

Veenu Mehta, Hardev S. Saini, Sunita Srivastava, Manish K. Kashyap and K. Tankeshwar

Materials Today Communications, 2021, 26, 102100
DOI: 10.1016/j.mtcomm.2021.102100

Carbon ene-yne graphyne monolayer as an outstanding anode material for Li/Na ion batteries

Meysam Makaremi, Bohayra Mortazavi and Chandra Veer Singh

Applied Materials Today, 2018, 10, 115
DOI: 10.1016/j.apmt.2017.12.008

Graphene/antimonene/graphene heterostructure: A potential anode for sodium-ion batteries

Jincang Su, Wenkang Li, Tengfei Duan, Bin Xiao, Xianyou Wang, Yong Pei and Xiao Cheng Zeng

Carbon, 2019, 153, 767
DOI: 10.1016/j.carbon.2019.07.053

Computational understanding and multiscale simulation of secondary batteries

Yan Yuan, Bin Wang, Jin-Hao Zhang, Bin Zheng, Stanislav S. Fedotov, Hai Lu and Long Kong

Energy Storage Materials, 2025, 75, 104009
DOI: 10.1016/j.ensm.2025.104009

First-principles study of two-dimensional zirconium nitrogen compounds: Anode materials for Na-ion batteries

Gang Liu, Shuai Xu, Liyuan Wu, Jianhang Zhang, Qian Wang and Pengfei Lu

Materials Chemistry and Physics, 2020, 250, 123028
DOI: 10.1016/j.matchemphys.2020.123028

Molybdenum carbide nano-sheet as a high capacity anode material for monovalent alkali metal-ion batteries—Theoretical investigation

Mohsin Hassan Saeed, Shehzad Ahmed, Imran Muhammad, Imran Murtaza, Awais Ghani, Ahsan Ali, Raies Abdullah, Wasif-ur-Rehman, Junaid-ur-Rehman and Abdul Khaliq

Physics Letters A, 2020, 384, 126688
DOI: 10.1016/j.physleta.2020.126688

Ab Initio Analysis of Li Adsorption on Beryllium-Doped Zigzag Graphene Nanoribbon for Lithium-Ion Batteries (LIBs)

Madhu Raj Kumar and Sangeeta Singh

J. Electron. Mater., 2022
DOI: 10.1007/s11664-022-09807-0

Boosting sodium storage performance of Mo2C via nitrogen-doped carbon sphere encapsulation and rGO wrapping

Song Yang, Shulan Wang, Dongjiang Chen, Weidong He and Li Li

Chemical Engineering Journal, 2021, 413, 127471
DOI: 10.1016/j.cej.2020.127471

Monolayer, Bilayer, and Bulk BSi as Potential Anode Materials of Li‐Ion Batteries

Abdus Samad, Aamir Shafique, Udo Schwingenschlögl, ZongWei Ji and Guangfu Luo

ChemPhysChem, 2022, 23
DOI: 10.1002/cphc.202200041

Nano‐confined Mo2C Particles Embedded in a Porous Carbon Matrix: A Promising Anode for Ultra‐stable Na Storage

Hanxiao Liao, Hongshuai Hou, Yan Zhang, Xiaoqing Qiu and Xiaobo Ji

ChemElectroChem, 2017, 4, 2669
DOI: 10.1002/celc.201700407

Micronano Porous Mo2C@C Nanorods Composites as Robust Anodes for Li‐ion Battery

Zhengwei Yang, Huifeng Wang, Boshi Cheng, Chuang Yue, Gaozhan Liu, Runtian Zheng, Fang Hu and Jie Shu

Energy Tech, 2020, 8
DOI: 10.1002/ente.202000189

Unlocking the potential of MBene and MBene-based materials for high-performance energy storage and electrocatalysis applications: Bridging experimental and theoretical insights

Sajjad Hussain, Nadeem Raza, Irfan Ijaz, Aysha Bukhari, Yan Xu, Mostafa E. Salem and Attia Shaheen

Coordination Chemistry Reviews, 2025, 545, 217023
DOI: 10.1016/j.ccr.2025.217023

Pomegranate-like MoC@C composites as stable anode materials for lithium-ion batteries

Jun Qi, Zhangping Shi, Xiang Li, Boxu Gao, Hui Wang, Lichun Yang, Yi Tang and Min Zhu

Journal of Alloys and Compounds, 2019, 786, 284
DOI: 10.1016/j.jallcom.2019.01.267

Constructing surface vacancy to activate the stuck MXenes for high-performance CO2 reduction reaction

Shoufu Cao, Yuying Hu, Chunyu Yang, Jiao Li, Hongyu Chen, Shuxian Wei, Siyuan Liu, Zhaojie Wang, Daofeng Sun and Xiaoqing Lu

Journal of CO2 Utilization, 2022, 62, 102074
DOI: 10.1016/j.jcou.2022.102074

Theoretical predication of a two-dimensional structure of non-layered ScC as an excellent electrode material for rechargeable Na-ion battery

Yungang Zhou and Jing Li

Applied Surface Science, 2018, 462, 417
DOI: 10.1016/j.apsusc.2018.08.138

2D Homogeneous Holey Carbon Nitride: An Efficient Anode Material for Li‐ion Batteries With Ultrahigh Capacity

Atish Ghosh, Sampad Mandal and Pranab Sarkar

ChemPhysChem, 2022, 23
DOI: 10.1002/cphc.202200182

A novel two-dimensional whorled TiB4 as a high-performance anode material for Li-ion and Na-ion batteries

Shihao Ma, Hui Zhang, Zishuang Cheng, Xinjian Xie, Xiaoming Zhang, Guodong Liu and Guifeng Chen

Applied Surface Science, 2023, 639, 158083
DOI: 10.1016/j.apsusc.2023.158083

Temperature-dependent lithium diffusion in phographene: Insights from molecular dynamics simulation

Siby Thomas, Saibal Jana, Byeongsun Jun, Chi Ho Lee and Sang Uck Lee

Journal of Industrial and Engineering Chemistry, 2020, 81, 287
DOI: 10.1016/j.jiec.2019.09.016

Exploring Mo2B MBene as a high-capacity anode material for multi-valent metal-ion batteries: Insights from first-principles calculations

Maneerat Chotsawat, Lappawat Ngamwongwan, Ittipon Fongkaew, Anchalee Junkaew and Suwit Suthirakun

Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2025, 704, 135531
DOI: 10.1016/j.colsurfa.2024.135531

G-Si C as an anode material for potassium-ion batteries insight from first principles

Yingfeng Dong, Pei Liang, Haoyan Zheng and Hai-bo Shu

Materials Chemistry and Physics, 2021, 266, 124541
DOI: 10.1016/j.matchemphys.2021.124541

Borophene-Based Three-Dimensional Porous Structures as Anode Materials for Alkali Metal-Ion Batteries with Ultrahigh Capacity

Imran Muhammad, Umer Younis, Huanhuan Xie, Adnan Ali Khan, Abdul Khaliq, Abdus Samad, Udo Schwingenschlögl and Qiang Sun

Chem. Mater., 2021, 33, 2976
DOI: 10.1021/acs.chemmater.1c00517

Adsorption and diffusion of magnesium on nitrogen-doped Mo2C monolayer

Kaimin Fan, Jiangfeng Ni and Jing Tang

J Mol Model, 2021, 27
DOI: 10.1007/s00894-021-04958-z

Exploring the feasibility of monolayer Mg2N as an anode material for alkali metal ion batteries: A first principle calculation

Yuntong Peng, Zhongyong Zhang, Yazhou Wang, Naigen Zhou and Yehor Brodnikovskyi

Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2023, 673, 131718
DOI: 10.1016/j.colsurfa.2023.131718

All-carbon-based porous topological semimetal for Li-ion battery anode material

Junyi Liu, Shuo Wang and Qiang Sun

Proc. Natl. Acad. Sci. U.S.A., 2017, 114, 651
DOI: 10.1073/pnas.1618051114

Exploring the potential of two-dimensional MB4 (M=Cr, Mo, and W) monolayer as a high-capacity negative electrode material for Al-ion batteries

M. Kashif Masood, Khawla Chaoui, Javed Rehman, Wahidullah Khan, Irslan Ullah Ashraf, Haseebul Hassan and Aboud Ahmed Awadh Bahajjaj

Surfaces and Interfaces, 2024, 54, 105254
DOI: 10.1016/j.surfin.2024.105254

Theoretical investigation of Mo2CN2 MXene as anodes for Mg/ K/ Ca-ion batteries

Jiajun Zhu, Haiyan Wang, Wenxi Chen, Mengjie Wei, Qinghua Wu, Qianku Hu and Aiguo Zhou

Scripta Materialia, 2026, 270, 116936
DOI: 10.1016/j.scriptamat.2025.116936

Selective Toluene Detection with Mo2CTx MXene at Room Temperature

Wenzhe Guo, Sandeep G. Surya, Vasudeo Babar, Fangwang Ming, Sitansh Sharma, Husam N. Alshareef, Udo Schwingenschlögl and Khaled N. Salama

ACS Appl. Mater. Interfaces, 2020, 12, 57218
DOI: 10.1021/acsami.0c16302

Electrochemical performance of janus MoB as lithium-ion battery anode by bifunctional group O and S strategy

Wenbo Zhang, Lingxia Li, Jiayin Zhang, Di Liu, Qi Wang, Junqiang Ren, Junchen Li, Xin Guo and Xuefeng Lu

Journal of Energy Storage, 2024, 100, 113681
DOI: 10.1016/j.est.2024.113681

SiN3 monolayer: A potential anode material with high storage capacity and hasty diffusion for Li- and Na-ion batteries

Mehwish K. Butt, Javed Rehman, Zhao Yang, Adel El-marghany, ZhiPeng Li and Mohamed F. Shibl

Journal of Energy Storage, 2024, 93, 112290
DOI: 10.1016/j.est.2024.112290

Evaluation of Sb/Bi heterostructure as anode material for Li/Na/K-ion intercalation batteries: A DFT study

Maida Anwar, Mamoona Durrani, Saeed Ahmad Buzdar, Abdul Majid, Saleh S Alarfaji and Muhammad Isa Khan

Computational and Theoretical Chemistry, 2025, 1245, 115088
DOI: 10.1016/j.comptc.2025.115088

Two-dimensional sheet of germanium selenide as an anode material for sodium and potassium ion batteries: First-principles simulation study

Arindam Sannyal, Zhengqing Zhang, Xingfa Gao and Joonkyung Jang

Computational Materials Science, 2018, 154, 204
DOI: 10.1016/j.commatsci.2018.08.002

First-principles study on the two-dimensional siligene (2D SiGe) as an anode material of an alkali metal ion battery

Arindam Sannyal, Yoonho Ahn and Joonkyung Jang

Computational Materials Science, 2019, 165, 121
DOI: 10.1016/j.commatsci.2019.04.039

Tailoring Storage Capacity and Ion Kinetics in Ti2CO2/ Graphene Heterostructures by Functionalization of Graphene

Cem Sevik and Deniz Çakır

Phys. Rev. Applied, 2019, 12
DOI: 10.1103/PhysRevApplied.12.014001

Ca2C MXene monolayer as a superior anode for metal-ion batteries

Kaptan Rajput, Vipin Kumar, Siby Thomas, Mohsen Asle Zaeem and Debesh Ranjan Roy

2D Mater., 2021, 8, 035015
DOI: 10.1088/2053-1583/abf233

Monolayer Mo2C as anodes for magnesium-ion batteries

Kaimin Fan, Jing Tang and Qingqiang Sun

J Mol Model, 2020, 26
DOI: 10.1007/s00894-020-4347-2

Ordered double transition metal MBene: the hexagonal ScTiB2 monolayer as a superior anode material for lithium-ion batteries

Jiahui Wang, Lina Bai, Lili Wu and Li Niu

Computational Materials Science, 2022, 214, 111736
DOI: 10.1016/j.commatsci.2022.111736

Monolayer TiC—A high-performance Dirac anode with ultralow diffusion barriers and high energy densities for Li-ion and Na-ion batteries

Ali Sufyan, Ghulam Abbas, Muhammad Sajjad and J. Andreas Larsson

Applied Surface Science, 2024, 642, 158564
DOI: 10.1016/j.apsusc.2023.158564

Molybdenum carbide nanoparticles embedded into spongy 3D carbon skeletons as advanced anodes for lithium-ion batteries

Hongfang Jiu, Zhixin Guo, Lixin Zhang, Dong Liang, Wei Song, Luchao Yue, Sicong Che, Yuxin Han, Jinfeng Ma and Hui Li

Scripta Materialia, 2024, 250, 116188
DOI: 10.1016/j.scriptamat.2024.116188

One-pot solvothermal method to fabricate 1D-VS4 nanowires as anode materials for lithium ion batteries

Yingfeng Dong, Xiao-qing Du, Pei Liang and Xiao-lei Man

Inorganic Chemistry Communications, 2020, 115, 107883
DOI: 10.1016/j.inoche.2020.107883

MBenes: A Comprehensive Review of Synthesis Techniques and Energy Storage Capabilities

Tanvir Amin, Shaib Hossain, Muktadir Billah and Arafat Rahman

Global Challenges, 2025
DOI: 10.1002/gch2.202500245

Adsorption and diffusion of alkali‐atoms (Li, Na, and K) on BeN dual doped graphene

Saif Ullah, Pablo A. Denis and Fernando Sato

Int J of Quantum Chemistry, 2019, 119
DOI: 10.1002/qua.25900

Fabrication of MoOx/Mo2C-Layered Hybrid Structures by Direct Thermal Oxidation of Mo2C

Leilei Yang, Wenjun Chen, Rongliang Yang, Anqi Chen, Hao Zhang, Yibo Sun, Yufei Jia, Xinming Li, Zikang Tang and Xuchun Gui

ACS Appl. Mater. Interfaces, 2020, 12, 10755
DOI: 10.1021/acsami.9b18650

Theoretical realization of Mo2P; a novel stable 2D material with superionic conductivity and attractive optical properties

Bohayra Mortazavi, Masoud Shahrokhi, Meysam Makaremi and Timon Rabczuk

Applied Materials Today, 2017, 9, 292
DOI: 10.1016/j.apmt.2017.08.012

Review on Using Molybdenum Carbides for the Thermal Catalysis of CO2 Hydrogenation to Produce High-Value-Added Chemicals and Fuels

Yongqing Xu, Yuyao Yang, Mengna Wu, Xiaoxiao Yang, Xuan Bie, Shiyu Zhang, Qinghai Li, Yanguo Zhang, Chenwei Zhang, Robert E. Przekop, Bogna Sztorch, Dariusz Brzakalski and Hui Zhou

Acta Physico-Chimica Sinica, 2024, 40, 2304003
DOI: 10.3866/PKU.WHXB202304003

Two-dimensional metallic Be2Al monolayer as a potential anode material for lithium-ion/sodium-ion batteries

Man Liu, Ying Liu, Lei Jin, Cong Liu, Xuefang Dai, Ting-Ting Zhang, Xiaoming Zhang and Guodong Liu

Materials Today Communications, 2024, 40, 110117
DOI: 10.1016/j.mtcomm.2024.110117

The superconducting Dirac AlB6 monolayer as an excellent anode material for Li/Na ion batteries

Shihao Ma, Hui Zhang, Nan Gao, Xinjian Xie, Yulong Fang and Guifeng Chen

Materials Today Communications, 2024, 39, 109325
DOI: 10.1016/j.mtcomm.2024.109325

Computational design of promising 2D electrode materials for Li-ion and Li–S battery applications

Ke Fan, Yuen Hong Tsang and Haitao Huang

Materials Reports: Energy, 2023, 3, 100213
DOI: 10.1016/j.matre.2023.100213

Tuning the magnetic properties of nonmagnetic monolayer Mo2C by doping and adsorption

Jing Xie, Dongni Wu, Yangfang Liao, Xiaolong Cao and Shiyou Zhou

Physica B: Condensed Matter, 2023, 667, 415219
DOI: 10.1016/j.physb.2023.415219

Adsorption and diffusion of mono, di, and trivalent ions on two-dimensional TiS2

Abdus Samad, Aamir Shafique and Young-Han Shin

Nanotechnology, 2017, 28, 175401
DOI: 10.1088/1361-6528/aa6536

Metal–Organic Frameworks Mediated Synthesis of One-Dimensional Molybdenum-Based/Carbon Composites for Enhanced Lithium Storage

Wei Tian, Han Hu, Yixian Wang, Peng Li, Jingyan Liu, Jialiang Liu, Xiaobo Wang, Xiangdong Xu, Zhongtao Li, Qingshan Zhao, Hui Ning, Wenting Wu and Mingbo Wu

ACS Nano, 2018, 12, 1990
DOI: 10.1021/acsnano.7b09175

Be2C5 Monolayer with Quasiplanar Pentacoordinate Carbon Atoms and Ultrahigh Energy Density as a Dirac Anode for Potassium-Ion Batteries

Feilong Wang, Meiling Xu, Shuyi Lin, Jian Hao, Yanchao Wang, Hong Jian Zhao and Yinwei Li

PRX Energy, 2023, 2
DOI: 10.1103/PRXEnergy.2.033012

First-principle prediction of Penta-NiN2 monolayer as electrode materials for Na and K ion batteries

Shiyun Wu, Qifei Xie and Wenwu Shi

Chemical Physics Letters, 2024, 837, 141066
DOI: 10.1016/j.cplett.2024.141066

Coaxial electrospinning synthesis hollow Mo2C@C core-shell nanofibers for high-performance and long-term lithium-ion batteries

Meng Zhang, Xinxin Huang, Hailin Xin, Dongzhi Li, Yong Zhao, Ludi Shi, Yemao Lin, Jiali Yu, Zhenqiang Yu, Caizhen Zhu and Jian Xu

Applied Surface Science, 2019, 473, 352
DOI: 10.1016/j.apsusc.2018.12.098

UiO-66 Metal–Organic Framework as an Anode for a Potassium-Ion Battery: Quantum Mechanical Analysis

Anwen Tang, Xiaojie He, Huimin Yin, Yi Li, Yongfan Zhang, Shuping Huang and Donald G. Truhlar

J. Phys. Chem. C, 2021, 125, 9679
DOI: 10.1021/acs.jpcc.1c01657

Ab initiostudy of N-doped graphene oxide (NDGO) as a promising anode material for Li-ion rechargeable battery

Siraj Ud Daula Shamim, Md. Kamal Hossain, Syed Mahedi Hasan, Abul Hossain and Farid Ahmed

Molecular Simulation, 2020, 46, 1135
DOI: 10.1080/08927022.2020.1805115

Improved Adsorption and Migration of Divalent Ions Over C4N Nanosheets: Potential Anode for Divalent Batteries

Puspamitra Panigrahi, Khidhir Alhameedi, Amir Karton, Rajeev Ahuja and Tanveer Hussain

Surfaces and Interfaces, 2020, 21, 100758
DOI: 10.1016/j.surfin.2020.100758

Evaluation of the role perfect and defect boron nitride monolayer in calcium ion batteries as a anode

Mohammed Abdul Hadi, Mustafa M. Kadhim, Islam Isam Kamil Al-Azawi, Sallal A.H. Abdullaha, Ali Majdi, Safa K. Hachim and Ahmed Mahdi Rheima

Computational and Theoretical Chemistry, 2023, 1219, 113940
DOI: 10.1016/j.comptc.2022.113940

Graphene/Mo2C heterostructure directly grown by chemical vapor deposition

Rongxuan Deng, Haoran Zhang, Yanhui Zhang, Zhiying Chen, Yanping Sui, Xiaoming Ge, Yijian Liang, Shike Hu, Guanghui Yu and Da Jiang

Chinese Phys. B, 2017, 26, 067901
DOI: 10.1088/1674-1056/26/6/067901

Controlled growth of Mo2C pyramids on liquid Cu surface

Yixuan Fan, Le Huang, Dechao Geng and Wenping Hu

J. Semicond., 2020, 41, 082001
DOI: 10.1088/1674-4926/41/8/082001

Screening MXenes for novel anode material of lithium-ion batteries with high capacity and stability: A DFT calculation

Xiaojun Zhao, Peng Wang, Erfei Lv, Chongchong Wu, Kai Ma, Zhengyang Gao, Ian D. Gates and Weijie Yang

Applied Surface Science, 2021, 569, 151050
DOI: 10.1016/j.apsusc.2021.151050

Functional group contributions for azo derivatives as anode materials for KIBs: A first-principles study

Hui-Li Tian, Yu-Long Hai, Yu-Jie Feng, Meng-Jing Jiang, Han-Bin Ding, Chun-Lei Yang and Guo-Hua Zhong

Materials Chemistry and Physics, 2022, 289, 126430
DOI: 10.1016/j.matchemphys.2022.126430

Silicon carbide and III-Nitrides nanosheets: Promising anodes for Mg-ion batteries

Adnan Ali Khan, Rashid Ahmad and Iftikhar Ahmad

Materials Chemistry and Physics, 2021, 257, 123785
DOI: 10.1016/j.matchemphys.2020.123785

Improved performances of Cr2N monolayer as electrode of lithium ion battery through surface termination: A first-principles calculation

Fengsheng Sun, Yun Wang, Lei Ji, Ji Chen and Fang Wu

Journal of Physics and Chemistry of Solids, 2022, 168, 110794
DOI: 10.1016/j.jpcs.2022.110794

M2X Monolayers as Anode Materials for Li Ion Batteries

Abdus Samad and Udo Schwingenschlögl

Phys. Rev. Applied, 2021, 15
DOI: 10.1103/PhysRevApplied.15.034025

Theoretical studies of SiC van der Waals heterostructures as anodes of Li-ion batteries

Xiaojie He, Anwen Tang, Yi Li, Yongfan Zhang, Wenkai Chen and Shuping Huang

Applied Surface Science, 2021, 563, 150269
DOI: 10.1016/j.apsusc.2021.150269

Construction of calixarene-based sensor: Multilayer Langmuir–Schaefer film and first-principles studies for 4-aminobenzoic acid sensing application

Yeong Yi Wong, Faridah Lisa Supian, Afiq Radzwan, Nur Farah Nadia Abd Karim, Farish Armani Hamidon and Nur Irwany Ahmad

Chinese Journal of Physics, 2024, 87, 578
DOI: 10.1016/j.cjph.2023.12.012

MnSb2S4 Monolayer as an Anode Material for Metal-Ion Batteries

Zizhong Zhang, Yongfan Zhang, Yi Li, Jing Lin, Donald G. Truhlar and Shuping Huang

Chem. Mater., 2018, 30, 3208
DOI: 10.1021/acs.chemmater.7b05311

Computational Studies of Super-B as Anodes for AM (Li, Na, and K) Ion Batteries

Muhammad Isa Khan, Maida Anwar, Abdul Majid, Muhammad Shakil and Muhammad Rizwan

J. Electrochem. Soc., 2022, 169, 090514
DOI: 10.1149/1945-7111/ac8ee6

Mo2C embedded in S-doped carbon nanofibers for high-rate performance and long-life time Na-ion batteries

Li Li, Zhi Chen and Ming Zhang

Solid State Ionics, 2018, 323, 151
DOI: 10.1016/j.ssi.2018.06.004

Superior ionic and electronic properties of ReN2 monolayers for Na-ion battery electrodes

Shi-Hao Zhang and Bang-Gui Liu

Nanotechnology, 2018, 29, 325401
DOI: 10.1088/1361-6528/aac73b

Multilayer Ion Load and Diffusion on TMD/MXene Heterostructure Anodes for Alkali-Ion Batteries

Dong-Xing Song, Lin Xie, Yu-Feng Zhang, Yang Lu, Meng An, Wei-Gang Ma and Xing Zhang

ACS Appl. Energy Mater., 2020, 3, 7699
DOI: 10.1021/acsaem.0c01110

Molybdenum Carbide-Based Photocatalysts: Synthesis, Functionalization, and Applications

Yifan Zhang, Yan Wang, Chaofei Guo and Yong Wang

Langmuir, 2022, 38, 12739
DOI: 10.1021/acs.langmuir.2c01887

A theoretical prediction of NP monolayer as a promising electrode material for Li-/Na-ion batteries

Zishuang Cheng, Xiaoming Zhang, Hui Zhang, Jianbo Gao, Heyan Liu, Xiao Yu, Xuefang Dai, Guodong Liu and Guifeng Chen

Applied Surface Science, 2021, 547, 149209
DOI: 10.1016/j.apsusc.2021.149209

Prospects for using silicene as an anode for lithium-ion batteries. A review

A.Y. Galashev

Journal of Energy Storage, 2024, 93, 112281
DOI: 10.1016/j.est.2024.112281

Adsorption and Diffusion of Potassium on 2D SnC Sheets for Potential High‐Performance Anodic Applications of Potassium‐Ion Batteries

Javed Rehman, Xiaofeng Fan, Amel Laref and W. T. Zheng

ChemElectroChem, 2020, 7, 3832
DOI: 10.1002/celc.202001039

Constructing Janus SnSSe and graphene heterostructures as promising anode materials for Li‐ion batteries

Wenxue Zhang, Jiahui Zhang, Cheng He and Tongtong Li

Intl J of Energy Research, 2022, 46, 267
DOI: 10.1002/er.6519

2D Hydrogenated graphene-like borophene as a high capacity anode material for improved Li/Na ion batteries: A first principles study

Meysam Makaremi, Bohayra Mortazavi and Chandra Veer Singh

Materials Today Energy, 2018, 8, 22
DOI: 10.1016/j.mtener.2018.02.003

High performance supercapacitor electrodes from automobile soots: An effective approach to control environmental pollution

S. Parida, K.C. Sahu, B.B. Sahoo, V.S. Pandey, D.N. Thatoi, N. Nayak and M.K. Nayak

Inorganic Chemistry Communications, 2023, 158, 111671
DOI: 10.1016/j.inoche.2023.111671

Black Phosphorus/V3C2 MXene Layered Heterostructure as a Sustainable Cathode Material for Li-Ion Battery: An Ab Initio Study

Sunita Saharan, Umesh Ghanekar and Shweta Meena

J. Phys. Chem. C, 2023, 127, 8905
DOI: 10.1021/acs.jpcc.2c08801

Quantitative pre-intercalation of alkali metal ions enables precisely modulating Li+ storage of MXenes

Junyan Li, Xin Ge, Qing Liang, Zizhun Wang, Wenjuan Han, Xinyan Zhou, Ming Lu, Wei Zhang and Weitao Zheng

Energy Storage Materials, 2024, 73, 103828
DOI: 10.1016/j.ensm.2024.103828

Density Functional Theory Study of Bilayer Borophene-Based Anode Material for Rechargeable Lithium Ion Batteries

Nan Gao, Panbin Ye, Jinghuang Chen, Jingyi Xiao and Xiaowei Yang

Langmuir, 2023, 39, 10270
DOI: 10.1021/acs.langmuir.3c01371

Transition Metal Layer Substitution in Mo2CS2 MXene for Improving Li Ion Surface Kinetics

Konstantina A. Papadopoulou and Stavros-Richard G. Christopoulos

ACS Omega, 2023, 8, 22992
DOI: 10.1021/acsomega.3c02080

Modelling of antimonene as an anode material in sodium-ion battery: A first-principles study

Sneha Upadhyay and Pankaj Srivastava

Materials Chemistry and Physics, 2020, 241, 122381
DOI: 10.1016/j.matchemphys.2019.122381

Rational design of black phosphorene/g-C3B heterostructures as high-performance electrodes for Li and Na-ion batteries

He Huang, Yuewang Yang, Jiaming Zhu, Hong-Hui Wu and Baoling Huang

Applied Surface Science, 2021, 561, 150093
DOI: 10.1016/j.apsusc.2021.150093

High rate and capacity performances of functionalized MXene/graphene heterostructure anodes for magnesium‐ion batteries

Dong‐Xing Song, Yan‐Zheng Du, Wei‐Gang Ma and Xing Zhang

Int J Energy Res, 2021, 45, 3421
DOI: 10.1002/er.6027

A new porous metallic silicon dicarbide for highly efficient Li-ion battery anode identified by targeted structure search

Junyi Liu, Shuo Wang, Yu Qie, Jiabing Yu and Qiang Sun

Carbon, 2018, 140, 680
DOI: 10.1016/j.carbon.2018.09.021

A MoO2 sheet as a promising electrode material: ultrafast Li-diffusion and astonishing Li-storage capacity

Yungang Zhou and Cheng Geng

Nanotechnology, 2017, 28, 105402
DOI: 10.1088/1361-6528/aa56d0

Prominent Electrode Material for Na-, K-, and Mg-ion Batteries: 2D β-Sb Monolayer

Gaushiya A. Shaikh, David Cornil, Sanjeev K. Gupta, Rajeev Ahuja and P. N. Gajjar

Energy Fuels, 2022, 36, 7087
DOI: 10.1021/acs.energyfuels.2c00482

Concentric Advancing Front Corrugations and Multiple Ordered Growth of 2D Mo2C Crystals

Lin Li, Min Gao and Dong Shi

Crystal Growth & Design, 2019, 19, 3097
DOI: 10.1021/acs.cgd.9b00314

Two-Dimensional Tetragonal Titanium Carbide: a High-Capacity and High-Rate Battery Material

Dong Fan, Shaohua Lu, Yundong Guo and Xiaojun Hu

J. Phys. Chem. C, 2018, 122, 15118
DOI: 10.1021/acs.jpcc.8b03425

A promising alkali-metal ion battery anode material: 2D metallic phosphorus carbide (β0-PC)

Feng Li, Xiaobiao Liu, Junru Wang, Xiaoming Zhang, Bo Yang, Yuanyuan Qu and Mingwen Zhao

Electrochimica Acta, 2017, 258, 582
DOI: 10.1016/j.electacta.2017.11.101

Highly Flexible Hydrogen Boride Monolayers as Potassium-Ion Battery Anodes for Wearable Electronics

Pan Xiang, Xianfei Chen, Beibei Xiao and Zhiming M. Wang

ACS Appl. Mater. Interfaces, 2019, 11, 8115
DOI: 10.1021/acsami.8b22214

Tremella-like Mo and N Codoped Graphitic Nanosheets by In Situ Carbonization of Phthalocyanine for Potassium-Ion Battery

Kang Li, Jianfeng Zhu, Zhanwei Xu, Qianqian Liu, Shengli Zhai, Na Wang, Xiaoxian Wang and Zhi Li

ACS Appl. Mater. Interfaces, 2021, 13, 30583
DOI: 10.1021/acsami.1c04335

Graphene-like silicon carbide layer for potential safe anode lithium ion battery: A first principle study

Nura Ibrahim, Lawal Mohammed and Ridwan Ahmed

Science Talks, 2022, 4, 100075
DOI: 10.1016/j.sctalk.2022.100075

Stacking-dependent ion adsorption and diffusion in Janus MoSSe bilayers: Insights for battery applications

Yuling Zhao, Diancheng Chen, ZhiPeng Deng, Yichun Zheng, Hongfei Bao and Yang Sun

Journal of Power Sources, 2025, 641, 236855
DOI: 10.1016/j.jpowsour.2025.236855

Layered iron dichalcogenides with high ion mobility and capacity as promising anode materials for alkali metal-ion batteries: A first-principles study

Yao Wang, Qifan Xie, Jinsen Zhang, Jianhui Zheng, Jianwei Nai, Tiefeng Liu, Yujing Liu and Xinyong Tao

Computational Materials Science, 2022, 211, 111523
DOI: 10.1016/j.commatsci.2022.111523

YS2 monolayer as a high-efficient anode material for rechargeable Li-ion and Na-ion batteries

Yanhui Guo, Tao Bo, Yiyuan Wu, Junrong Zhang, Zhansheng Lu, Weidong Li, Xiuping Li, Ping Zhang and Baotian Wang

Solid State Ionics, 2020, 345, 115187
DOI: 10.1016/j.ssi.2019.115187

Recent Research on Strategies to Improve Ion Conduction in Alkali Metal‐Ion Batteries

TieLei Shao, Chunyi Liu, Wenjun Deng, Chang Li, Xusheng Wang, Mianqi Xue and Rui Li

Batteries & Supercaps, 2019, 2, 403
DOI: 10.1002/batt.201800147

First principles prediction of two-dimensional tungsten carbide (W2C) monolayer and its Li storage capability

Yun Zhang

Computational Condensed Matter, 2017, 10, 35
DOI: 10.1016/j.cocom.2017.03.002

Theoretical investigation of NbB as an electrode material for Li/Na-ion batteries

Xusheng Li, Yu Liu, Haiyan Wang, Weiwei Yu, Yiwen Fu, Qinghua Wu, Qianku Hu and Aiguo Zhou

Phys. Scr., 2024, 99, 0659a4
DOI: 10.1088/1402-4896/ad4c27

Recent advances on supercapacitor electrode materials from biowastes- a review

M.K. Nayak, B.B. Sahoo, D.N. Thatoi, S. Nazari, Rifaqat Ali and Ali J. Chamkha

Journal of Science: Advanced Materials and Devices, 2024, 9, 100734
DOI: 10.1016/j.jsamd.2024.100734

Strain engineering of electronic and magnetic properties of double-transition metal ferromagnetic semiconductor MXenes

Edirisuriya M. D. Siriwardane and Deniz Çakir

Journal of Applied Physics, 2019, 125
DOI: 10.1063/1.5054131

Hexagonal boron phosphide as a potential anode nominee for alkali-based batteries: A multi-flavor DFT study

Saif Ullah, Pablo A. Denis and Fernando Sato

Applied Surface Science, 2019, 471, 134
DOI: 10.1016/j.apsusc.2018.12.020

Monolayer Be2P3N as a high capacity and high energy density anode material for ultrafast charging Na- and K-ion batteries

Shoutian Sun and Xiang Ye

Applied Surface Science, 2020, 527, 146783
DOI: 10.1016/j.apsusc.2020.146783

Fluorinated boron nitride nanosheet as a high-performance electrode material for ion batteries via first-principles calculations

Xiang Li, Fengsheng Sun, Han Yan, Yun Wang, Yu Liang and Fang Wu

Journal of Physics and Chemistry of Solids, 2024, 190, 112001
DOI: 10.1016/j.jpcs.2024.112001

Magnetic and electronic properties of single-walled Mo2C nanotube: a first-principles study

Abdul Jalil, Zhongti Sun, Dayong Wang and Xiaojun Wu

J. Phys.: Condens. Matter, 2018, 30, 155305
DOI: 10.1088/1361-648X/aab397

Preparation and characterization of PANI: α borophene electrode for supercapacitors

Simru Göktuna and Nevin Taşaltın

Physica E: Low-dimensional Systems and Nanostructures, 2021, 134, 114833
DOI: 10.1016/j.physe.2021.114833